Lepadiformine B
| Internal ID | 65d7d902-5088-47a1-a243-0ad1d959f2c2 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | [(3S,5R,7aS,11aS)-5-butyl-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinolin-3-yl]methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H31NO/c1-2-3-7-15-9-8-14-6-4-5-11-17(14)12-10-16(13-19)18(15)17/h14-16,19H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1 |
| InChI Key | BGBFXHCJNCIRRA-YVSFHVDLSA-N |
| Popularity | 33 references in papers |
| Molecular Formula | C17H31NO |
| Molecular Weight | 265.40 g/mol |
| Exact Mass | 265.240564612 g/mol |
| Topological Polar Surface Area (TPSA) | 23.50 Ų |
| XlogP | 4.00 |
| CHEMBL1186875 |
| [(3S,5R,7aS,11aS)-5-butyl-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinolin-3-yl]methanol |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.65% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.45% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.26% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 91.85% | 91.81% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.74% | 95.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.51% | 97.93% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.04% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.51% | 95.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.20% | 98.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.77% | 92.86% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.50% | 83.82% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.53% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.96% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.91% | 95.17% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.84% | 95.88% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.06% | 93.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.05% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.39% | 89.63% |
| CHEMBL268 | P43235 | Cathepsin K | 81.27% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.97% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.31% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 11609147 |
| LOTUS | LTS0045685 |
| wikiData | Q104935255 |